Department of Biological Sciences, College of Science, Purdue University, West Lafayette, IN 47907, USA.
Curr Protein Pept Sci. 2011 Sep;12(6):520-30. doi: 10.2174/138920311796957612.
The tertiary structures of proteins have been solved in an increasing pace in recent years. To capitalize the enormous efforts paid for accumulating the structure data, efficient and effective computational methods need to be developed for comparing, searching, and investigating interactions of protein structures. We introduce the 3D Zernike descriptor (3DZD), an emerging technique to describe molecular surfaces. The 3DZD is a series expansion of mathematical three-dimensional function, and thus a tertiary structure is represented compactly by a vector of coefficients of terms in the series. A strong advantage of the 3DZD is that it is invariant to rotation of target object to be represented. These two characteristics of the 3DZD allow rapid comparison of surface shapes, which is sufficient for real-time structure database screening. In this article, we review various applications of the 3DZD, which have been recently proposed.
近年来，蛋白质的三级结构已经以越来越快的速度得到解决。为了充分利用为积累结构数据所付出的巨大努力，需要开发高效、有效的计算方法，用于比较、搜索和研究蛋白质结构的相互作用。我们介绍了 3D Zernike 描述符（3DZD），这是一种新兴的描述分子表面的技术。3DZD 是数学三维函数的级数展开，因此，一个三级结构可以紧凑地表示为级数项系数的向量。3DZD 的一个强大优势是，它对目标对象的旋转具有不变性。3DZD 的这两个特性允许快速比较表面形状，这足以进行实时结构数据库筛选。在本文中，我们回顾了最近提出的 3DZD 的各种应用。
